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141800-94-4 | Oxirane, 2,3-bis(2,3,4,5,6-pentabromophenyl)-
CAS No: 141800-94-4 Catalog No: AG001H7B MDL No:
Product Description
Catalog Number:
AG001H7B
Chemical Name:
Oxirane, 2,3-bis(2,3,4,5,6-pentabromophenyl)-
CAS Number:
141800-94-4
Molecular Formula:
C14H2Br10O
Molecular Weight:
985.2051
IUPAC Name:
2,3-bis(2,3,4,5,6-pentabromophenyl)oxirane
InChI:
InChI=1S/C14H2Br10O/c15-3-1(4(16)8(20)11(23)7(3)19)13-14(25-13)2-5(17)9(21)12(24)10(22)6(2)18/h13-14H
InChI Key:
SHCZCOGXKWVGBZ-UHFFFAOYSA-N
SMILES:
Brc1c(C2OC2c2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
985.184g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
985.209g/mol
Monoisotopic Mass:
975.194g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
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